methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate

C16H22O5 — CID 103272609

IUPACmethyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(Oc2c(OC)cc(C)cc2OC)CCC1
InChIInChI=1S/C16H22O5/c1-11-8-12(18-2)15(13(9-11)19-3)21-16(6-5-7-16)10-14(17)20-4/h8-9H,5-7,10H2,1-4H3
InChIKeyPSRJEPMPBFPWPC-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.88
Rot. Bonds6

About methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate

methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate (PubChem CID 103272609) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate
PubChem CID103272609
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Namemethyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(Oc2c(OC)cc(C)cc2OC)CCC1
InChIInChI=1S/C16H22O5/c1-11-8-12(18-2)15(13(9-11)19-3)21-16(6-5-7-16)10-14(17)20-4/h8-9H,5-7,10H2,1-4H3
InChIKeyPSRJEPMPBFPWPC-UHFFFAOYSA-N
XLogP2.88
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate?
The IUPAC name of methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate (CID 103272609) is methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate is COC(=O)CC1(Oc2c(OC)cc(C)cc2OC)CCC1.
What is the InChIKey of methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate?
The InChIKey is PSRJEPMPBFPWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-11-8-12(18-2)15(13(9-11)19-3)21-16(6-5-7-16)10-14(17)20-4/h8-9H,5-7,10H2,1-4H3.
What are the key properties of methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate?
methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate has a molecular weight of 294.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate is sourced from PubChem (CID 103272609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).